SCHEMBL2811188

SCHEMBL2811188

COc1ccc2cc(N)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 14/20 0.60
PDGFRB P09619 2/20 0.58
PDGFRA P16234 2/20 0.58
EGFR P00533 1/20 0.57
NCF1 P14598 1/20 0.54
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1928147 0.86 PDGFRB (0.58) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL28808959 0.83 HPGDS (0.65) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL6033827 0.80 HPGDS (0.61) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL18572654 0.79 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL13356641 0.79 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL1069738 0.79 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL18572655 0.79 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL4371627 0.79 HPGDS (0.59) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL23980622 0.77 HPGDS (0.58) HPGDSPDGFRBPDGFRAEGFRNCF1
SCHEMBL3014652 0.77 PDGFRB (0.79) HPGDSPDGFRBPDGFRAEGFRNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150980-B1 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-08-22 EP claimed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1150980-B1 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-08-22 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 HPGDS 56/4885PDGFRB 1848/4885PDGFRA 2096/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT HPGDS 92/4885PDGFRB 389/4885PDGFRA 464/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB HPGDS 662/4885PDGFRB 512/4885PDGFRA 560/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB HPGDS 642/4885PDGFRB 460/4885PDGFRA 509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.